3-(1-butoxyethoxy)oxetane

C9H18O3 — CID 170903491

IUPAC3-(1-butoxyethoxy)oxetane
SMILESCCCCOC(C)OC1COC1
InChIInChI=1S/C9H18O3/c1-3-4-5-11-8(2)12-9-6-10-7-9/h8-9H,3-7H2,1-2H3
InChIKeyQBLIOBPLRGRHCL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.56
Rot. Bonds6

About 3-(1-butoxyethoxy)oxetane

3-(1-butoxyethoxy)oxetane (PubChem CID 170903491) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(1-butoxyethoxy)oxetane.

Molecular Properties

Compound Name3-(1-butoxyethoxy)oxetane
PubChem CID170903491
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-(1-butoxyethoxy)oxetane
SMILESCCCCOC(C)OC1COC1
InChIInChI=1S/C9H18O3/c1-3-4-5-11-8(2)12-9-6-10-7-9/h8-9H,3-7H2,1-2H3
InChIKeyQBLIOBPLRGRHCL-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-1-ethoxyethoxy]oxetane
CID 86317317
3-(1-ethoxyethoxy)oxetane
CID 13153906
2-[butoxy(oxiran-2-yl)methyl]oxirane
CID 146313335
9,10-bis(1-butoxyethoxy)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139891333
1-butoxyethoxymethanol
CID 19047949
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
CID 136849236
CID 136849236
CID 136849214
CID 136849214
methyl 2-(oxetan-3-yloxy)hexanoate
CID 102605289
methane;1-propan-2-yloxybutane
CID 158518476
1-propan-2-yloxybutane;zirconium
CID 174617524

Frequently Asked Questions

What is the IUPAC name of 3-(1-butoxyethoxy)oxetane?
The IUPAC name of 3-(1-butoxyethoxy)oxetane (CID 170903491) is 3-(1-butoxyethoxy)oxetane.
What is the SMILES notation for 3-(1-butoxyethoxy)oxetane?
The canonical SMILES for 3-(1-butoxyethoxy)oxetane is CCCCOC(C)OC1COC1.
What is the InChIKey of 3-(1-butoxyethoxy)oxetane?
The InChIKey is QBLIOBPLRGRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-4-5-11-8(2)12-9-6-10-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(1-butoxyethoxy)oxetane?
3-(1-butoxyethoxy)oxetane has a molecular weight of 174.24 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butoxyethoxy)oxetane is sourced from PubChem (CID 170903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).